# generated using pymatgen data_Ta4NiTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75717000 _cell_length_b 10.78123700 _cell_length_c 18.65801400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4NiTe4 _chemical_formula_sum 'Ta16 Ni4 Te16' _cell_volume 956.93552859 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 0.50000000 0.56618300 0.38094000 1.0 Ta Ta1 1 0.50000000 0.43381700 0.61906000 1.0 Ta Ta2 1 0.50000000 0.06618300 0.11906000 1.0 Ta Ta3 1 0.50000000 0.93381700 0.88094000 1.0 Ta Ta4 1 0.50000000 0.70802500 0.53694900 1.0 Ta Ta5 1 0.50000000 0.29197500 0.46305100 1.0 Ta Ta6 1 0.50000000 0.20802500 0.96305100 1.0 Ta Ta7 1 0.50000000 0.79197500 0.03694900 1.0 Ta Ta8 1 0.00000000 0.69281300 0.44194200 1.0 Ta Ta9 1 0.00000000 0.30718700 0.55805800 1.0 Ta Ta10 1 0.00000000 0.19281300 0.05805800 1.0 Ta Ta11 1 0.00000000 0.80718700 0.94194200 1.0 Ta Ta12 1 0.00000000 0.39902100 0.38957000 1.0 Ta Ta13 1 0.00000000 0.60097900 0.61043000 1.0 Ta Ta14 1 0.00000000 0.89902100 0.11043000 1.0 Ta Ta15 1 0.00000000 0.10097900 0.88957000 1.0 Ni Ni16 1 0.25025200 0.50000000 0.50000000 1.0 Ni Ni17 1 0.74974800 0.00000000 0.00000000 1.0 Ni Ni18 1 0.74974800 0.50000000 0.50000000 1.0 Ni Ni19 1 0.25025200 0.00000000 0.00000000 1.0 Te Te20 1 0.00000000 0.85557200 0.56485800 1.0 Te Te21 1 0.00000000 0.14442800 0.43514200 1.0 Te Te22 1 0.00000000 0.35557200 0.93514200 1.0 Te Te23 1 0.00000000 0.64442800 0.06485800 1.0 Te Te24 1 0.50000000 0.32941500 0.31114600 1.0 Te Te25 1 0.50000000 0.67058500 0.68885400 1.0 Te Te26 1 0.50000000 0.82941500 0.18885400 1.0 Te Te27 1 0.50000000 0.17058500 0.81114600 1.0 Te Te28 1 0.50000000 0.83112600 0.39987500 1.0 Te Te29 1 0.50000000 0.16887400 0.60012500 1.0 Te Te30 1 0.50000000 0.33112600 0.10012500 1.0 Te Te31 1 0.50000000 0.66887400 0.89987500 1.0 Te Te32 1 0.00000000 0.60967700 0.29547800 1.0 Te Te33 1 0.00000000 0.39032300 0.70452200 1.0 Te Te34 1 0.00000000 0.10967700 0.20452200 1.0 Te Te35 1 0.00000000 0.89032300 0.79547800 1.0